SCHEMBL2861013

SCHEMBL2861013

Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
HTT P42858 6/20 0.52
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
HCRTR1 O43613 1/20 0.42
DHFR P00374 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2862811 0.85 DHFR (0.46) MAPTMEN1KMT2ALMNATDP1
SCHEMBL2869867 0.82 KMT2A (0.56) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2867194 0.78 MAPT (0.47) MAPTMEN1KMT2AHTTLMNA
SCHEMBL27643406 0.77 MAPT (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2868251 0.75 MAPT (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2861009 0.74 ABCG2 (0.54) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2858919 0.72 MEN1 (0.61) MAPTMEN1KMT2AHTTLMNA
SCHEMBL1285054 0.72 APP (0.60) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2860819 0.70 DHFR (0.54) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL6237367 0.69 CYP1A2 (0.51) MAPTMEN1KMT2AHTTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803898-B2 Aminoquinoxaline compound, polyaminoquinoxaline compound, and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-28 US disclosed
US-20090030176-A1 Aminoquinoxaline Compound, Polyaminoquinoxaline Compound, and Use Thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-29 US disclosed
EP-1705178-A1 AMINOQUINOXALINE COMPOUND, POLYAMINOQUINOXALINE COMPOUND, AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2006-09-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090030176-A1 Aminoquinoxaline Compound, Polyaminoquinoxaline Compound, and Use Thereof PAM, CYC1, QPCT MAPT 4450/4885MEN1 386/4885KMT2A 513/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.